SCHEMBL7785177

SCHEMBL7785177

CCCOc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 3/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP19A1 P11511 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
RAB9A P51151 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7787638 0.90 MAPT (0.64) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL18541656 0.84 MAOB (0.56) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL31067505 0.82 MAPT (0.67) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL4470153 0.82 MAPT (0.67) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL10939515 0.82 SRD5A2 (0.63) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL21567532 0.80 HRH2 (0.61) MAOBKMT2AMAPK1LMNAL3MBTL1
SCHEMBL7789171 0.79 MEN1 (0.55) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL2374109 0.79 CHRNB2 (0.70) MAOBALDH1A1MEN1KMT2ALMNA
SCHEMBL3234327 0.79 CES2 (0.68) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL50488 0.79 GAA (0.72) ALDH1A1MEN1KMT2AMAPK1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed